SCHEMBL264643

SCHEMBL264643

O=C(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
KCNQ3 O43525 3/20 0.41
KCNQ2 O43526 3/20 0.41
KCNE1 P15382 2/20 0.41
KCNQ1 P51787 2/20 0.41
PDPK1 O15530 1/20 0.41
PTGIR P43119 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36
LTC4S Q16873 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
MLYCD O95822 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL265057 0.88 PDPK1 (0.41) PDPK1PTGIRTRPM8LTC4SMRGPRX4
SCHEMBL264439 0.88 VNN1 (0.43) PDPK1PTGIRLTC4SMRGPRX4MLYCD
SCHEMBL264511 0.82 TACR1 (0.39) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL264510 0.82 TACR1 (0.39) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL264509 0.82 TACR1 (0.39) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3644621 0.80 PDPK1 (0.43) PDPK1MLYCDPLAAT3PLAAT5PLAAT2
SCHEMBL265215 0.79 PDPK1 (0.41) PDPK1TRPM8MLYCDPLAAT3PLAAT5
SCHEMBL264390 0.79 PDPK1 (0.41) PDPK1MRGPRX4MLYCD
SCHEMBL265612 0.77 TRPM8 (0.39) PDPK1PTGIRTRPM8SMN1; SMN2NPC1
SCHEMBL265613 0.77 TRPM8 (0.39) PDPK1PTGIRTRPM8SMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 GRM4 379/4885KCNQ3 2195/4885KCNQ2 2029/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.